V028-4031 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

V028-4031 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
V028-4031 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4031
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V028-4031

Molecular Formula

C13H14FN3OS2 (C13 H14 FN3 OS2)

Compound Name

N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

IUPAC name

N-[5-(butylsulfanyl)-134-thiadiazol-2-yl]-2-fluorobenzamide

SMILES

CCCCSc1nnc(NC(c(cccc2)c2F)=O)s1

InChI

InChI=1S/C13H14FN3OS2/c1-2-3-8-19-13-17-16-12(20-13)15-11(18)9-6-4-5-7-10(9)14/h4-7H,2-3,8H2,1H3,(H,15,16,18)

InChI Key

PYRPBFUNGSVTRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08817423

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

311.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.36

Polar Surface Area

46.236

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V028-4031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4031?
Check Price and Availability of V028-4031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V028-4031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4031
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V028-4031 available by request